[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H27N3O4/c1-5-6-13-27-23(29)19-10-8-7-9-18(19)21(26-27)24(30)31-17(4)22(28)25-20-14-15(2)11-12-16(20)3/h7-12,14,17H,5-6,13H2,1-4H3,(H,25,28)/t17-/m1/s1